4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide

C13H18N2O4 — CID 66175163

IUPAC4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCC(O)CO)cc1
InChIInChI=1S/C13H18N2O4/c1-9(17)14-6-10-2-4-11(5-3-10)13(19)15-7-12(18)8-16/h2-5,12,16,18H,6-8H2,1H3,(H,14,17)(H,15,19)
InChIKeyUIFCCGKXWVKFIA-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.59
Rot. Bonds6

About 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide

4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide (PubChem CID 66175163) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
PubChem CID66175163
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCC(O)CO)cc1
InChIInChI=1S/C13H18N2O4/c1-9(17)14-6-10-2-4-11(5-3-10)13(19)15-7-12(18)8-16/h2-5,12,16,18H,6-8H2,1H3,(H,14,17)(H,15,19)
InChIKeyUIFCCGKXWVKFIA-UHFFFAOYSA-N
XLogP-0.59
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide
CID 97213094
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide (CID 66175163) is 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide is CC(=O)NCc1ccc(C(=O)NCC(O)CO)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide?
The InChIKey is UIFCCGKXWVKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(17)14-6-10-2-4-11(5-3-10)13(19)15-7-12(18)8-16/h2-5,12,16,18H,6-8H2,1H3,(H,14,17)(H,15,19).
What are the key properties of 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide?
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of -0.59, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide is sourced from PubChem (CID 66175163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).